5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid

C15H20N4O6S — CID 119245991

IUPAC5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H20N4O6S/c1-8-13(10(3)19(4)17-8)26(23,24)18-9(2)14(20)16-7-11-5-6-12(25-11)15(21)22/h5-6,9,18H,7H2,1-4H3,(H,16,20)(H,21,22)
InChIKeyKSTAZPWYYSJDGB-UHFFFAOYSA-N
MW384.41 g/mol
LogP0.31
Rot. Bonds7

About 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid

5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid (PubChem CID 119245991) has the molecular formula C15H20N4O6S and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid
PubChem CID119245991
Molecular FormulaC15H20N4O6S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H20N4O6S/c1-8-13(10(3)19(4)17-8)26(23,24)18-9(2)14(20)16-7-11-5-6-12(25-11)15(21)22/h5-6,9,18H,7H2,1-4H3,(H,16,20)(H,21,22)
InChIKeyKSTAZPWYYSJDGB-UHFFFAOYSA-N
XLogP0.31
TPSA143.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
N-[2-(ethylaminomethyl)phenyl]-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119439527
2,2,2-trifluoroacetic acid;3-[2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]ethyldisulfanyl]propanoic acid
CID 166425017
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
N-(6-amino-3-pyridinyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119515569
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119606795
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 115991264
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 52508835
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid (CID 119245991) is 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid?
The InChIKey is KSTAZPWYYSJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6S/c1-8-13(10(3)19(4)17-8)26(23,24)18-9(2)14(20)16-7-11-5-6-12(25-11)15(21)22/h5-6,9,18H,7H2,1-4H3,(H,16,20)(H,21,22).
What are the key properties of 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid?
5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid has a molecular weight of 384.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).